Y043-6223 Screening compound: N-[4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanamide

Y043-6223 Screening compound: N-[4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanamide
Y043-6223 Screening compound: N-[4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6223
N-[4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y043-6223

Molecular Formula

C20H21N3O3S2 (C20 H21 N3 O3 S2)

Compound Name

N-[4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)phenyl]-3-(1H-pyrrol-1-yl)-3-(3-thienyl)propanamide

IUPAC name

N-[4-(11-dioxo-1lambda62-thiazolidin-2-yl)phenyl]-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propanamide

SMILES

O=C(CC(c1cscc1)n1cccc1)Nc(cc1)ccc1N(CCC1)S1(=O)=O

InChI

InChI=1S/C20H21N3O3S2/c24-20(14-19(16-8-12-27-15-16)22-9-1-2-10-22)21-17-4-6-18(7-5-17)23-11-3-13-28(23,25)26/h1-2,4-10,12,15,19H,3,11,13-14H2,(H,21,24)/t19-/m0/s1

InChI Key

OXXWWWWFGVHNDT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32222885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.746

Distribution Coefficient, logD

2.746

Water Solubility, LogSw

-3.30

Polar Surface Area

59.693

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y043-6223 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-6223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6223?
Check Price and Availability of Y043-6223, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y043-6223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6223
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y043-6223 available by request